4-tert-butyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide

C17H21N3O3 — CID 844290

IUPAC4-tert-butyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide
SMILESCn1c(NC(=O)c2ccc(C(C)(C)C)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H21N3O3/c1-17(2,3)12-8-6-11(7-9-12)15(22)18-13-10-14(21)20(5)16(23)19(13)4/h6-10H,1-5H3,(H,18,22)
InChIKeyOWVIUKBVVOPIMQ-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.63
Rot. Bonds2

About 4-tert-butyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide

4-tert-butyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide (PubChem CID 844290) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-tert-butyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide
PubChem CID844290
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name4-tert-butyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide
SMILESCn1c(NC(=O)c2ccc(C(C)(C)C)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H21N3O3/c1-17(2,3)12-8-6-11(7-9-12)15(22)18-13-10-14(21)20(5)16(23)19(13)4/h6-10H,1-5H3,(H,18,22)
InChIKeyOWVIUKBVVOPIMQ-UHFFFAOYSA-N
XLogP1.63
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzonal
CID 12938
4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
CID 809338
N-benzoyl-1-piperidinecarboxamide
CID 974065
N-(azepane-1-carbothioyl)-4-tert-butylbenzamide
CID 833346
4-tert-butyl-N-(pyrrolidine-1-carbothioyl)benzamide
CID 833348
N-benzoyl-2-ethyl-1-piperidinecarboxamide
CID 2951994
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methylbenzamide
CID 4791036
1-Benzyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-1,2-dihydro-isoquinolin-3-yl)-urea
CID 9978999
1-Benzyl-1-ethyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-1,2-dihydro-isoquinolin-3-yl)-urea
CID 10026200
1-Benzyl-1-methyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-1,2-dihydro-isoquinolin-3-yl)-urea
CID 10342371
1-(3,5-Dimethyl-benzyl)-1-methyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-1,2-dihydro-isoquinolin-3-yl)-urea
CID 10456592
N-hexyl-2,4-dioxo-5-phenyl-pyrimidine-1-carboxamide
CID 71654890

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide (CID 844290) is 4-tert-butyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide is Cn1c(NC(=O)c2ccc(C(C)(C)C)cc2)cc(=O)n(C)c1=O.
What is the InChIKey of 4-tert-butyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide?
The InChIKey is OWVIUKBVVOPIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-17(2,3)12-8-6-11(7-9-12)15(22)18-13-10-14(21)20(5)16(23)19(13)4/h6-10H,1-5H3,(H,18,22).
What are the key properties of 4-tert-butyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide?
4-tert-butyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide has a molecular weight of 315.37 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide is sourced from PubChem (CID 844290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).